(4-Methyl-1-naphthyl)-(1-pentylindol-3-yl)methanone (BioDeep_00000180235)

   

human metabolite blood metabolite


代谢物信息卡片


3-(4-methylnaphthalene-1-carbonyl)-1-pentyl-1H-indole

化学式: C25H25NO (355.193604)
中文名称: (4-甲基-1-萘基)(1-戊基-1H-吲哚-3-基)甲酮
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCCN1C=C(C(=O)C2=CC=C(C)C3=CC=CC=C23)C2=CC=CC=C12
InChI: InChI=1S/C25H25NO/c1-3-4-9-16-26-17-23(21-12-7-8-13-24(21)26)25(27)22-15-14-18(2)19-10-5-6-11-20(19)22/h5-8,10-15,17H,3-4,9,16H2,1-2H3

描述信息

同义名列表

4 个代谢物同义名

3-(4-methylnaphthalene-1-carbonyl)-1-pentyl-1H-indole; (4-Methyl-1-naphthyl)-(1-pentylindol-3-yl)methanone; 3-(4-methylnaphthalene-1-carbonyl)-1-pentylindole; JWH-122



数据库引用编号

6 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

1 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Manuela Pellegrini, Emilia Marchei, Esther Papaseit, Magí Farré, Simona Zaami. UHPLC-HRMS and GC-MS Screening of a Selection of Synthetic Cannabinoids and Metabolites in Urine of Consumers. Medicina (Kaunas, Lithuania). 2020 Aug; 56(8):. doi: 10.3390/medicina56080408. [PMID: 32823724]
  • Marta Almada, Patrícia Alves, Bruno M Fonseca, Félix Carvalho, Cláudio R Queirós, Helena Gaspar, Cristina Amaral, Natércia A Teixeira, Georgina Correia-da-Silva. Synthetic cannabinoids JWH-018, JWH-122, UR-144 and the phytocannabinoid THC activate apoptosis in placental cells. Toxicology letters. 2020 Feb; 319(?):129-137. doi: 10.1016/j.toxlet.2019.11.004. [PMID: 31730886]
  • João P Silva, Ana Margarida Araújo, Paula Guedes de Pinho, Helena Carmo, Félix Carvalho. Synthetic Cannabinoids JWH-122 and THJ-2201 Disrupt Endocannabinoid-Regulated Mitochondrial Function and Activate Apoptotic Pathways as a Primary Mechanism of In Vitro Nephrotoxicity at In Vivo Relevant Concentrations. Toxicological sciences : an official journal of the Society of Toxicology. 2019 06; 169(2):422-435. doi: 10.1093/toxsci/kfz050. [PMID: 30796436]
  • Katherine N Moore, Demetra Garvin, Brian F Thomas, Megan Grabenauer. Identification of Eight Synthetic Cannabinoids, Including 5F-AKB48 in Seized Herbal Products Using DART-TOF-MS and LC-QTOF-MS as Nontargeted Screening Methods. Journal of forensic sciences. 2017 Sep; 62(5):1151-1158. doi: 10.1111/1556-4029.13367. [PMID: 28597943]
  • Annelies Cannaert, Jolien Storme, Florian Franz, Volker Auwärter, Christophe P Stove. Detection and Activity Profiling of Synthetic Cannabinoids and Their Metabolites with a Newly Developed Bioassay. Analytical chemistry. 2016 12; 88(23):11476-11485. doi: 10.1021/acs.analchem.6b02600. [PMID: 27779402]
  • Karl B Scheidweiler, Michael J Y Jarvis, Marilyn A Huestis. Nontargeted SWATH acquisition for identifying 47 synthetic cannabinoid metabolites in human urine by liquid chromatography-high-resolution tandem mass spectrometry. Analytical and bioanalytical chemistry. 2015 Jan; 407(3):883-97. doi: 10.1007/s00216-014-8118-8. [PMID: 25224637]
  • Moonhee Jang, Ilchung Shin, Wonkyung Yang, Hyejin Chang, Hye Hyun Yoo, Jaesin Lee, Eunmi Kim. Determination of major metabolites of MAM-2201 and JWH-122 in in vitro and in vivo studies to distinguish their intake. Forensic science international. 2014 Nov; 244(?):85-91. doi: 10.1016/j.forsciint.2014.08.008. [PMID: 25195129]
  • Laura M Huppertz, Stefan Kneisel, Volker Auwärter, Jürgen Kempf. A comprehensive library-based, automated screening procedure for 46 synthetic cannabinoids in serum employing liquid chromatography-quadrupole ion trap mass spectrometry with high-temperature electrospray ionization. Journal of mass spectrometry : JMS. 2014 Feb; 49(2):117-27. doi: 10.1002/jms.3328. [PMID: 24677304]
  • Wui Ling Chan, David M Wood, Simon Hudson, Paul I Dargan. Acute psychosis associated with recreational use of benzofuran 6-(2-aminopropyl)benzofuran (6-APB) and cannabis. Journal of medical toxicology : official journal of the American College of Medical Toxicology. 2013 Sep; 9(3):278-81. doi: 10.1007/s13181-013-0306-y. [PMID: 23733714]